2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-benzylideneamino]acetamide
Formula:C22H20N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-benzylideneamino]acetamide |
| MolecularFormula | C22H20N3O3ClS |
| Smiles | O=C(CN(Cc(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H20ClN3O3S/c23-20-13-11-19(12-14-20)16-26(30(28,29)21-9-5-2-6-10-21)17-22(27)25-24-15-18-7-3-1-4-8-18/h1-15H,16-17H2,(H,25,27) |
| InChIK | ZSLFPOZSELPWGD-UHFFFAOYSA-N |
| TotalMolweight | 441.938 |
| Molweight | 441.938 |
| MonoisotopicMass | 441.091389 |
| CLogP | 4.0892 |
| CLogS | -4.681 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.57 |
| Relative PSA | 0.20738 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 0.51549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-benzylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-benzylideneamino]acetamide
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